Vitas-M small molecule compound
3-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]phenyl 4-tert-butylbenzoate
Catalog ID
STK922649
SMILES COc1ccc(cc1)C(=O)/C=C/c1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H26O4 MW 414.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26O4/c1-27(2,3)22-13-9-21(10-14-22)26(29)31-24-7-5-6-19(18-24)8-17-25(28)20-11-15-23(30-4)16-12-20/h5-18H,1-4H3/b17-8+InChIKey
SZOJTGOCDRRNIE-CAOOACKPSA-NSynonyms
(3((E)3(4METHOXYPHENYL)3OXOPROP1ENYL)PHENYL)4TERTBUTYLBENZOATE
3((1E)3(4methoxyphenyl)3oxoprop1en1yl)phenyl4tertbutylbenzoate
3((1E)3(4METHOXYPHENYL)3OXOPROP1ENYL)PHENYL4(TERTBUTYL)BENZOATE
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=CC(=O)C3=CC=C(C=C3)OC
COc1ccc(cc1)C(=O)C=Cc1cccc(c1)OC(=O)c1ccc(cc1)C(C)(C)C
InChI=1SC27H26O4c127(23)2213921(101422)26(29)312475619(1824)81725(28)20111523(304)161220h518H14H3b178+
MFCD04193618
ZINC000006825576
ZINC06825576
ZINC6825576
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